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Azd-8330
CS-396 · ARRY704 · AZD8330 · ARRY-704 · ARRY424704 · ARRY-424704 · AZD8330 (ARRY704 · AZD8330 AZD-8330
Identifikatoren & physikalische Daten
| CAS No. | 869357-68-6 |
|---|---|
| Summenformel | C16H17FIN3O4 |
| Durchschnittliche Molmasse | 461,23 g/mol |
| Monoisotopische Masse | 461,02478224 g/mol |
| SMILES | Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O |
| InChIKey | RWEVIPRMPFNTLO-UHFFFAOYSA-N |
| PubChem CID | 16666708 |
| ChEMBL | CHEMBL3182621 |
| ChEBI | CHEBI:91424 |
| EC No. | 642-441-7 |
| DTXSID | DTXSID50235986 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,9 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 596 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Dichte | 1.732 |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | ≥23.05 mg/mL in DMSOinsoluble in H2O≥46.1 mg/mL in EtOH |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 14.31±0.10(Predicted) |
| Farbe | Off-white to pink |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P301+P316, P319, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Beschreibung
AZD 8330 is a selective allosteric inhibitor of MEK1/2 (IC50 = 7 nM). It blocks phosphorylation of ERK1/2 and inhibits proliferation of certain cancer cells. AZD 8330 is orally bioavailable, inhibits ERK phosphorylation in vivo, and reduces tumor growth in a Calu-6 nude rat xenograft model.